#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr4 h LEU 20 N 0.00 0.58 -1.29 -2.67 3.38 -1.99 -1.88 115.31 111.43 2nr4 h LEU 20 Ca 0.00 -0.07 0.30 0.00 0.09 0.00 0.00 57.88 58.20 2nr4 h LEU 20 Cb 0.00 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.49 2nr4 h LEU 20 CO 0.00 0.54 0.68 0.28 0.09 0.00 0.00 178.44 180.03 2nr4 h SER 21 N 0.63 0.45 0.81 -0.43 0.02 -1.93 0.19 113.55 113.30 2nr4 h SER 21 Ca 0.15 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2nr4 h SER 21 Cb 0.15 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2nr4 h SER 21 CO -0.01 0.02 0.00 -1.20 -1.14 0.00 0.00 176.83 174.50 2nr4 n SER 22 N -4.71 0.70 -0.64 3.07 7.64 -0.71 -2.60 113.62 116.38 2nr4 n SER 22 Ca 0.28 0.66 0.06 0.00 1.01 0.00 0.00 58.87 60.89 2nr4 n SER 22 Cb 0.96 -0.81 0.18 0.00 -1.01 0.00 0.00 64.21 63.52 2nr4 n SER 22 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2nr4 n PHE 23 N -2.26 0.57 -0.65 1.43 3.72 0.63 -4.97 117.46 115.92 2nr4 n PHE 23 Ca 0.02 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2nr4 n PHE 23 Cb 0.25 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2nr4 n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nr4 n GLY 24 N -0.04 0.71 3.32 1.37 0.00 -1.07 -4.70 105.19 104.77 2nr4 n GLY 24 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 2nr4 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr4 s ILE 25 N -2.26 5.20 0.33 -0.61 -1.09 -0.96 -4.87 121.20 116.94 2nr4 s ILE 25 Ca 0.00 -1.54 0.05 0.00 -2.23 0.00 0.00 60.65 56.93 2nr4 s ILE 25 Cb 0.00 -4.38 -0.07 0.00 -1.58 0.00 0.00 42.46 36.43 2nr4 s ILE 25 CO 0.00 -0.93 0.01 -0.13 -1.23 0.00 0.00 174.94 172.66 2nr4 s ARG 26 N 1.60 1.68 0.21 2.79 0.52 -1.26 -3.13 118.95 121.36 2nr4 s ARG 26 Ca 0.06 -1.91 -0.31 0.00 -0.52 0.00 0.00 55.73 53.05 2nr4 s ARG 26 Cb -0.27 -1.12 -0.15 0.00 0.52 0.00 0.00 34.95 33.93 2nr4 s ARG 26 CO 0.02 -0.08 1.05 -1.91 0.02 0.00 0.00 175.30 174.40 2nr4 n GLU 27 N -0.71 1.11 0.00 3.54 2.13 -1.26 -4.35 120.64 121.09 2nr4 n GLU 27 Ca -0.04 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2nr4 n GLU 27 Cb 0.66 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.56 2nr4 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nr4 n GLY 28 N 1.74 -0.07 3.37 8.31 0.00 -0.27 -4.80 105.19 113.46 2nr4 n GLY 28 Ca 0.14 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2nr4 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr4 s ILE 29 N 0.00 4.27 -0.24 -0.61 1.01 -1.26 -0.41 121.20 123.96 2nr4 s ILE 29 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 2nr4 s ILE 29 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2nr4 s ILE 29 CO 0.00 -0.02 0.46 -0.44 0.00 0.00 0.00 174.94 174.94 2nr4 s SER 30 N 1.54 6.42 -0.51 3.58 0.01 -0.18 -4.88 113.70 119.68 2nr4 s SER 30 Ca 0.03 0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.56 2nr4 s SER 30 Cb -0.18 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 63.84 2nr4 s SER 30 CO 0.04 -0.20 0.81 -1.61 0.41 0.00 0.00 173.24 172.69 2nr4 s GLU 31 N 1.92 3.30 0.45 12.44 0.41 -1.26 -1.64 118.70 134.31 2nr4 s GLU 31 Ca 0.20 -0.38 0.03 0.00 -0.41 0.00 0.00 54.97 54.41 2nr4 s GLU 31 Cb -0.15 -4.03 -0.02 0.00 -1.78 0.00 0.00 34.13 28.14 2nr4 s GLU 31 CO 0.09 -1.30 0.07 0.96 -0.49 0.00 0.00 175.26 174.59 2nr4 s ILE 32 N 3.40 0.91 -0.24 -1.63 -5.25 -0.84 -4.80 121.20 112.76 2nr4 s ILE 32 Ca 0.26 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 57.86 2nr4 s ILE 32 Cb -0.14 -2.33 -0.02 0.00 2.95 0.00 0.00 42.46 42.92 2nr4 s ILE 32 CO 0.18 0.00 0.02 -0.63 -1.79 0.00 0.00 174.94 172.72 2nr4 s ILE 33 N -3.06 3.89 -0.15 8.37 -1.09 -0.35 -1.25 121.20 127.55 2nr4 s ILE 33 Ca 0.18 -0.32 -0.21 0.00 -2.23 0.00 0.00 60.65 58.07 2nr4 s ILE 33 Cb 0.03 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 2nr4 s ILE 33 CO 0.10 0.37 0.61 0.00 -1.23 0.00 0.00 174.94 174.79 2nr4 s ALA 34 N 1.55 3.48 -0.05 9.38 0.00 0.63 -0.76 121.76 136.00 2nr4 s ALA 34 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 2nr4 s ALA 34 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2nr4 s ALA 34 CO 0.01 -0.33 0.11 -1.54 0.00 0.00 0.00 175.76 174.01 2nr4 s SER 35 N 0.98 6.01 0.20 0.00 1.04 0.29 -1.92 113.70 120.29 2nr4 s SER 35 Ca 0.30 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.90 2nr4 s SER 35 Cb -0.16 -1.83 -0.00 0.00 0.10 0.00 0.00 66.02 64.13 2nr4 s SER 35 CO 0.12 0.32 0.38 0.42 0.98 0.00 0.00 173.24 175.46 2nr4 s THR 36 N -1.14 0.04 0.00 2.02 -4.23 -0.75 -0.95 115.64 110.63 2nr4 s THR 36 Ca 0.21 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2nr4 s THR 36 Cb -0.12 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2nr4 s THR 36 CO 0.11 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2nr4 n GLY 37 N -0.29 0.56 0.30 3.99 0.00 -1.26 -0.73 105.19 107.76 2nr4 n GLY 37 Ca -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 2nr4 n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2nr4 h PHE 38 N 0.00 0.80 0.00 1.61 3.57 -1.96 -3.08 116.94 117.88 2nr4 h PHE 38 Ca 0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 2nr4 h PHE 38 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2nr4 h PHE 38 CO 0.00 0.68 -0.53 0.93 -2.23 0.00 0.00 178.31 177.16 2nr4 h GLU 39 N 0.75 0.00 -0.79 1.11 5.08 -1.98 -3.44 114.58 115.31 2nr4 h GLU 39 Ca 0.16 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 2nr4 h GLU 39 Cb 0.29 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.33 2nr4 h GLU 39 CO -0.00 0.01 -0.16 -1.58 -1.00 0.00 0.00 179.01 176.28 2nr4 s HIS 40 N -3.28 -1.29 0.45 4.33 5.04 -1.17 -5.15 115.29 114.21 2nr4 s HIS 40 Ca 0.03 1.31 -0.24 0.00 -1.54 0.00 0.00 55.06 54.62 2nr4 s HIS 40 Cb 0.07 0.43 -0.07 0.00 0.04 0.00 0.00 32.58 33.05 2nr4 s HIS 40 CO 0.73 -0.71 1.25 -1.25 -2.34 0.00 0.00 174.74 172.42 2nr4 s PRO 41 N 2.89 3.76 0.02 2.88 0.04 -1.17 -4.38 135.00 139.03 2nr4 s PRO 41 Ca 0.14 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2nr4 s PRO 41 Cb -0.13 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 2nr4 s PRO 41 CO -0.19 -0.62 -0.01 1.21 0.04 0.00 0.00 177.00 177.43 2nr4 s ASN 42 N -1.04 0.20 0.04 6.66 3.84 0.09 -4.86 114.94 119.87 2nr4 s ASN 42 Ca 0.62 -0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.29 2nr4 s ASN 42 Cb -0.34 0.10 -0.02 0.00 -0.55 0.00 0.00 41.25 40.44 2nr4 s ASN 42 CO 0.43 -0.28 -0.09 0.00 -2.79 0.00 0.00 177.10 174.36 2nr4 s ALA 43 N -1.33 0.74 -0.19 1.71 0.00 -1.26 -1.80 121.76 119.63 2nr4 s ALA 43 Ca -0.15 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 2nr4 s ALA 43 Cb -0.09 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.08 2nr4 s ALA 43 CO -0.01 0.07 0.82 0.00 0.00 0.00 0.00 175.76 176.65 2nr4 s ALA 44 N -1.07 -1.85 0.29 0.00 0.00 -0.81 -4.72 121.76 113.61 2nr4 s ALA 44 Ca -0.05 1.73 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 2nr4 s ALA 44 Cb -0.08 -0.84 -0.10 0.00 0.00 0.00 0.00 23.12 22.10 2nr4 s ALA 44 CO 0.01 -0.32 1.22 -2.14 0.00 0.00 0.00 175.76 174.53 2nr4 s PRO 45 N -0.32 4.47 -0.10 0.00 0.02 -1.26 -0.27 135.00 137.54 2nr4 s PRO 45 Ca -0.03 2.03 -0.09 0.00 0.02 0.00 0.00 61.00 62.93 2nr4 s PRO 45 Cb -0.03 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.38 2nr4 s PRO 45 CO 0.02 -0.04 0.26 0.42 -0.33 0.00 0.00 177.00 177.33 2nr4 s ILE 46 N -0.95 0.00 -0.16 2.83 -1.09 -0.38 -4.85 121.20 116.60 2nr4 s ILE 46 Ca 0.48 -0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.70 2nr4 s ILE 46 Cb -0.36 -0.37 -0.03 0.00 -1.58 0.00 0.00 42.46 40.12 2nr4 s ILE 46 CO 0.46 -0.00 0.57 -0.83 -1.23 0.00 0.00 174.94 173.90 2nr4 s GLY 47 N 0.12 2.20 -0.18 6.18 0.00 -1.26 -1.98 107.32 112.40 2nr4 s GLY 47 Ca -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.32 2nr4 s GLY 47 CO 0.00 1.09 0.36 -0.42 0.00 0.00 0.00 173.10 174.14 2nr4 s ILE 48 N 1.39 5.24 -0.18 0.90 1.01 -0.65 -4.51 121.20 124.40 2nr4 s ILE 48 Ca 0.28 0.67 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 2nr4 s ILE 48 Cb -0.16 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2nr4 s ILE 48 CO 0.11 0.32 0.11 -0.69 0.00 0.00 0.00 174.94 174.79 2nr4 s VAL 49 N 0.89 5.27 -0.20 2.92 1.01 0.51 -1.01 120.40 129.79 2nr4 s VAL 49 Ca 0.19 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2nr4 s VAL 49 Cb -0.14 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2nr4 s VAL 49 CO 0.07 0.47 -0.04 -0.32 0.00 0.00 0.00 175.10 175.28 2nr4 s MET 50 N 0.14 1.43 -0.36 2.72 1.75 0.46 -0.69 119.30 124.75 2nr4 s MET 50 Ca 0.08 -0.73 0.11 0.00 -1.25 0.00 0.00 55.69 53.90 2nr4 s MET 50 Cb -0.11 -2.30 0.45 0.00 2.84 0.00 0.00 34.83 35.70 2nr4 s MET 50 CO -0.01 -0.54 1.09 1.63 -0.65 0.00 0.00 175.02 176.54 2nr4 n LYS 51 N 4.80 2.69 0.00 4.11 4.76 -1.26 -1.12 118.16 132.14 2nr4 n LYS 51 Ca -0.12 -4.00 0.00 0.00 -2.87 0.00 0.00 58.31 51.32 2nr4 n LYS 51 Cb 0.46 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2nr4 n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nr4 n GLY 52 N -0.44 2.82 0.00 0.72 0.00 -1.26 -5.01 105.19 102.02 2nr4 n GLY 52 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2nr4 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nr4 n GLU 53 N 0.00 3.43 -2.06 1.61 0.28 -1.26 -5.07 120.64 117.56 2nr4 n GLU 53 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 2nr4 n GLU 53 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 2nr4 n GLU 53 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2nr4 s ARG 54 N 4.33 3.41 0.73 3.44 0.52 -1.26 -4.99 118.95 125.13 2nr4 s ARG 54 Ca 0.00 1.93 -0.15 0.00 -0.52 0.00 0.00 55.73 56.99 2nr4 s ARG 54 Cb 0.00 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.24 2nr4 s ARG 54 CO 0.00 -0.88 1.21 -1.25 0.02 0.00 0.00 175.30 174.40 2nr4 s PRO 55 N -2.89 2.14 0.13 3.54 0.04 -1.26 -4.69 135.00 132.02 2nr4 s PRO 55 Ca 0.69 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 2nr4 s PRO 55 Cb -0.33 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2nr4 s PRO 55 CO 0.38 -1.83 0.15 -0.59 0.04 0.00 0.00 177.00 175.15 2nr4 s PHE 56 N -1.98 0.60 0.07 0.56 -0.12 0.13 -0.53 117.98 116.71 2nr4 s PHE 56 Ca 0.74 -0.99 0.08 0.00 -0.05 0.00 0.00 56.93 56.71 2nr4 s PHE 56 Cb -0.29 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 2nr4 s PHE 56 CO 0.45 -0.59 -0.21 0.14 -0.05 0.00 0.00 175.22 174.97 2nr4 s VAL 57 N -3.99 1.69 -0.27 -2.49 -7.23 0.11 -0.36 120.40 107.85 2nr4 s VAL 57 Ca 0.19 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2nr4 s VAL 57 Cb 0.06 -1.49 0.06 0.00 0.56 0.00 0.00 36.38 35.56 2nr4 s VAL 57 CO -0.01 0.11 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.21 2nr4 s ARG 58 N -1.45 2.27 -0.21 4.82 3.52 -1.26 -2.01 118.95 124.63 2nr4 s ARG 58 Ca 0.07 -1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 54.25 2nr4 s ARG 58 Cb -0.09 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 2nr4 s ARG 58 CO 0.03 -0.59 0.08 -0.51 -0.81 0.00 0.00 175.30 173.50 2nr4 s LEU 59 N 1.13 3.78 0.23 -0.88 1.43 0.33 -4.92 118.68 119.79 2nr4 s LEU 59 Ca -0.08 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 2nr4 s LEU 59 Cb -0.20 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 2nr4 s LEU 59 CO -0.04 0.11 1.54 -0.36 0.23 0.00 0.00 176.35 177.82 2nr4 s PHE 60 N 0.78 2.95 0.50 0.29 0.08 -1.26 -0.20 117.98 121.12 2nr4 s PHE 60 Ca 0.04 0.80 -0.23 0.00 0.12 0.00 0.00 56.93 57.66 2nr4 s PHE 60 Cb -0.13 -3.94 -0.06 0.00 -0.57 0.00 0.00 43.02 38.32 2nr4 s PHE 60 CO 0.02 -3.25 1.29 0.15 -0.10 0.00 0.00 175.22 173.34 2nr4 s LYS 61 N 0.13 3.44 0.00 0.44 1.02 -1.26 -3.73 119.74 119.78 2nr4 s LYS 61 Ca 0.64 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.72 2nr4 s LYS 61 Cb -0.45 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 2nr4 s LYS 61 CO 0.40 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2nr4 n GLY 62 N 0.62 3.33 3.75 -3.33 0.00 -1.26 -5.05 105.19 103.25 2nr4 n GLY 62 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2nr4 n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nr4 s SER 63 N -0.77 4.18 0.30 1.61 1.04 -1.24 -4.89 113.70 113.93 2nr4 s SER 63 Ca 0.00 1.67 0.05 0.00 0.48 0.00 0.00 55.95 58.15 2nr4 s SER 63 Cb 0.00 -2.37 0.49 0.00 0.10 0.00 0.00 66.02 64.23 2nr4 s SER 63 CO 0.00 -2.22 1.75 0.45 0.98 0.00 0.00 173.24 174.20 2nr4 h HIS 64 N -1.26 0.39 -0.13 5.02 3.86 -1.97 -2.04 115.15 119.02 2nr4 h HIS 64 Ca -0.46 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 58.70 2nr4 h HIS 64 Cb 1.25 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.60 2nr4 h HIS 64 CO 0.52 0.61 -0.05 1.15 0.86 0.00 0.00 177.93 181.02 2nr4 h THR 65 N 0.31 0.83 -0.43 2.45 2.02 -1.95 0.12 112.91 116.25 2nr4 h THR 65 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.28 2nr4 h THR 65 Cb 0.67 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2nr4 h THR 65 CO 0.05 0.00 0.12 -0.25 0.37 0.00 0.00 175.52 175.81 2nr4 h TRP 66 N -0.03 0.21 -0.54 3.16 7.01 -1.79 -0.03 115.95 123.93 2nr4 h TRP 66 Ca 0.07 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2nr4 h TRP 66 Cb 0.13 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 2nr4 h TRP 66 CO -0.18 0.06 0.31 1.49 -2.79 0.00 0.00 178.44 177.33 2nr4 h GLU 67 N 0.27 0.74 -0.45 2.65 4.81 -0.99 -1.48 114.58 120.12 2nr4 h GLU 67 Ca 0.20 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2nr4 h GLU 67 Cb 0.22 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2nr4 h GLU 67 CO -0.24 0.55 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.66 2nr4 h ASN 68 N 0.72 0.81 -0.54 1.04 2.35 -0.42 -2.09 115.58 117.46 2nr4 h ASN 68 Ca 0.19 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 2nr4 h ASN 68 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2nr4 h ASN 68 CO -0.03 0.94 0.15 0.58 -1.65 0.00 0.00 177.43 177.41 2nr4 h VAL 69 N 0.66 1.24 -0.40 2.81 2.07 -0.87 0.24 116.25 122.00 2nr4 h VAL 69 Ca 0.13 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2nr4 h VAL 69 Cb 0.54 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2nr4 h VAL 69 CO 0.03 0.31 0.17 -0.07 0.02 0.00 0.00 177.57 178.03 2nr4 h LEU 70 N 0.75 0.23 -0.14 2.57 3.38 -1.20 0.24 115.31 121.14 2nr4 h LEU 70 Ca 0.17 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2nr4 h LEU 70 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2nr4 h LEU 70 CO -0.00 0.17 -0.24 0.50 0.09 0.00 0.00 178.44 178.96 2nr4 h LYS 71 N 0.36 0.40 0.00 1.13 3.64 -1.21 -3.40 116.57 117.49 2nr4 h LYS 71 Ca 0.18 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2nr4 h LYS 71 Cb 0.12 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2nr4 h LYS 71 CO -0.15 0.85 -1.28 0.39 -2.27 0.00 0.00 179.45 176.99 2nr4 n GLU 72 N -4.46 0.29 -2.96 1.90 1.02 0.81 -5.01 120.64 112.23 2nr4 n GLU 72 Ca -0.07 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 2nr4 n GLU 72 Cb 0.44 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2nr4 n GLU 72 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nr4 n LYS 73 N -1.73 -4.60 -3.88 3.49 4.01 0.84 -4.93 118.16 111.36 2nr4 n LYS 73 Ca -0.01 0.90 -0.11 0.00 -0.51 0.00 0.00 58.31 58.57 2nr4 n LYS 73 Cb 0.18 -5.70 -0.12 0.00 -0.51 0.00 0.00 35.03 28.88 2nr4 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nr4 s LEU 75 N -0.67 0.07 -0.05 0.00 0.20 -0.54 -4.57 118.68 113.12 2nr4 s LEU 75 Ca -0.07 0.82 0.05 0.00 0.69 0.00 0.00 54.13 55.61 2nr4 s LEU 75 Cb -0.05 1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 47.50 2nr4 s LEU 75 CO 0.00 -0.30 -0.19 0.00 -0.29 0.00 0.00 176.35 175.57 2nr4 s ALA 76 N -0.25 2.44 0.24 5.97 0.00 -0.12 -0.52 121.76 129.51 2nr4 s ALA 76 Ca -0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 2nr4 s ALA 76 Cb -0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 2nr4 s ALA 76 CO 0.03 0.51 0.82 -1.54 0.00 0.00 0.00 175.76 175.58 2nr4 s SER 77 N -0.55 7.28 -0.17 0.00 1.04 -0.02 -0.55 113.70 120.73 2nr4 s SER 77 Ca 0.08 1.65 -0.01 0.00 0.48 0.00 0.00 55.95 58.15 2nr4 s SER 77 Cb -0.11 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2nr4 s SER 77 CO 0.01 0.06 -0.03 0.20 0.98 0.00 0.00 173.24 174.45 2nr4 s ASN 78 N -1.47 2.80 -0.11 7.02 0.01 0.06 -2.26 114.94 120.99 2nr4 s ASN 78 Ca 0.43 -0.67 -0.30 0.00 -0.71 0.00 0.00 52.86 51.61 2nr4 s ASN 78 Cb -0.20 -0.83 -0.02 0.00 0.41 0.00 0.00 41.25 40.62 2nr4 s ASN 78 CO 0.24 -0.21 1.10 -0.69 -1.51 0.00 0.00 177.10 176.03 2nr4 s VAL 79 N 1.69 4.53 -0.05 1.60 1.01 -0.02 -1.22 120.40 127.95 2nr4 s VAL 79 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.83 2nr4 s VAL 79 Cb -0.16 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2nr4 s VAL 79 CO -0.07 -0.04 -0.09 -0.69 0.00 0.00 0.00 175.10 174.21 2nr4 s VAL 80 N 2.38 0.84 -2.03 2.92 1.01 -1.26 -0.36 120.40 123.90 2nr4 s VAL 80 Ca 0.51 -0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.35 2nr4 s VAL 80 Cb -0.20 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.48 2nr4 s VAL 80 CO 0.17 0.28 1.01 -1.22 0.00 0.00 0.00 175.10 175.35 2nr4 n TYR 81 N 3.79 0.00 -2.99 5.22 4.01 -1.26 -4.95 117.16 120.98 2nr4 n TYR 81 Ca -0.23 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.09 2nr4 n TYR 81 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 2nr4 n TYR 81 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2nr4 s ASP 82 N -1.69 6.62 0.36 7.72 2.15 -1.26 -4.94 116.67 125.63 2nr4 s ASP 82 Ca 0.19 0.63 0.16 0.00 0.43 0.00 0.00 52.55 53.95 2nr4 s ASP 82 Cb 0.15 -2.38 0.67 0.00 -0.30 0.00 0.00 42.92 41.05 2nr4 s ASP 82 CO 0.30 -0.56 1.75 1.55 -0.17 0.00 0.00 175.17 178.04 2nr4 h PRO 83 N 8.10 0.00 0.52 4.34 0.13 -1.92 -2.81 132.00 140.35 2nr4 h PRO 83 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 2nr4 h PRO 83 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2nr4 h PRO 83 CO 0.85 0.42 -0.25 0.82 -0.23 0.00 0.00 178.00 179.61 2nr4 h ILE 84 N 0.00 0.48 -0.83 -3.56 2.04 -1.92 -1.86 117.51 111.86 2nr4 h ILE 84 Ca -0.00 -0.08 0.18 0.00 1.00 0.00 0.00 64.86 65.95 2nr4 h ILE 84 Cb 0.84 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 37.33 2nr4 h ILE 84 CO 0.05 0.01 0.33 0.25 0.00 0.00 0.00 178.15 178.80 2nr4 h LEU 85 N -0.75 0.27 -0.52 1.44 5.85 -1.96 0.61 115.31 120.24 2nr4 h LEU 85 Ca -0.07 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2nr4 h LEU 85 Cb 0.56 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2nr4 h LEU 85 CO 0.12 0.04 0.29 -0.26 -0.34 0.00 0.00 178.44 178.29 2nr4 h PHE 86 N 0.40 0.54 -0.26 1.25 -1.00 -1.22 -0.68 116.94 115.97 2nr4 h PHE 86 Ca 0.49 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 61.19 2nr4 h PHE 86 Cb 0.85 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 2nr4 h PHE 86 CO -0.17 0.29 -0.21 0.28 -1.61 0.00 0.00 178.31 176.89 2nr4 h VAL 87 N 0.57 1.31 -0.74 -0.55 2.07 -0.88 -1.91 116.25 116.12 2nr4 h VAL 87 Ca 0.22 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2nr4 h VAL 87 Cb 0.08 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2nr4 h VAL 87 CO -0.13 0.43 0.34 0.03 0.02 0.00 0.00 177.57 178.26 2nr4 h ARG 88 N 0.32 1.07 0.00 1.57 3.08 -0.72 -1.46 114.38 118.24 2nr4 h ARG 88 Ca 0.05 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 2nr4 h ARG 88 Cb 0.76 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2nr4 h ARG 88 CO 0.05 0.83 -0.19 0.66 -1.07 0.00 0.00 179.97 180.26 2nr4 h SER 89 N 1.06 0.00 0.54 7.04 4.64 -1.10 -2.72 113.55 123.02 2nr4 h SER 89 Ca 0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2nr4 h SER 89 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2nr4 h SER 89 CO -0.03 0.19 -0.40 0.74 -0.87 0.00 0.00 176.83 176.46 2nr4 h THR 90 N 0.00 1.13 0.00 2.95 2.02 -0.43 -3.38 112.91 115.20 2nr4 h THR 90 Ca -0.00 -1.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.61 2nr4 h THR 90 Cb 0.83 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2nr4 h THR 90 CO 0.02 0.39 -1.59 0.49 0.37 0.00 0.00 175.52 175.20 2nr4 n PHE 91 N -3.84 0.00 -3.60 3.16 3.72 -1.01 -4.95 117.46 110.94 2nr4 n PHE 91 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 2nr4 n PHE 91 Cb 0.46 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 2nr4 n PHE 91 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2nr4 s LEU 94 N -4.42 -0.66 0.21 4.37 1.02 -1.26 -5.06 118.68 112.88 2nr4 s LEU 94 Ca -0.04 1.17 0.05 0.00 0.02 0.00 0.00 54.13 55.32 2nr4 s LEU 94 Cb 0.04 2.44 -0.03 0.00 0.02 0.00 0.00 46.19 48.65 2nr4 s LEU 94 CO 0.40 -0.37 0.29 0.68 0.02 0.00 0.00 176.35 177.37 2nr4 s VAL 95 N -0.17 5.09 0.52 -1.59 -7.23 -1.26 -4.89 120.40 110.87 2nr4 s VAL 95 Ca -0.04 -0.98 0.31 0.00 -1.81 0.00 0.00 61.98 59.47 2nr4 s VAL 95 Cb -0.03 -3.71 0.49 0.00 0.56 0.00 0.00 36.38 33.69 2nr4 s VAL 95 CO 0.04 -0.25 1.86 -0.65 -0.31 0.00 0.00 175.10 175.79 2nr4 h PRO 96 N 1.60 0.05 0.00 4.82 0.11 -1.97 0.29 132.00 136.91 2nr4 h PRO 96 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nr4 h PRO 96 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2nr4 h PRO 96 CO 0.63 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2nr4 n SER 97 N -4.28 0.31 -0.02 -2.05 3.41 -1.26 -2.15 113.62 107.57 2nr4 n SER 97 Ca 0.21 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.55 2nr4 n SER 97 Cb 1.02 -0.65 0.67 0.00 -0.26 0.00 0.00 64.21 64.99 2nr4 n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nr4 n GLU 98 N -1.85 0.35 -4.18 4.33 1.02 0.09 -4.87 120.64 115.53 2nr4 n GLU 98 Ca 0.03 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 2nr4 n GLU 98 Cb 0.18 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 2nr4 n GLU 98 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2nr4 s PHE 99 N -2.68 2.87 0.17 -0.32 0.08 -0.91 -1.10 117.98 116.09 2nr4 s PHE 99 Ca 0.24 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.29 2nr4 s PHE 99 Cb 0.20 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2nr4 s PHE 99 CO 0.49 0.45 -0.17 -1.83 -0.10 0.00 0.00 175.22 174.06 2nr4 s GLU 100 N -2.23 1.28 -0.17 0.44 -1.05 0.53 -4.78 118.70 112.71 2nr4 s GLU 100 Ca 0.23 -1.43 -0.06 0.00 -0.15 0.00 0.00 54.97 53.56 2nr4 s GLU 100 Cb -0.11 -1.29 -0.04 0.00 -0.44 0.00 0.00 34.13 32.25 2nr4 s GLU 100 CO 0.16 0.25 0.03 0.71 0.95 0.00 0.00 175.26 177.36 2nr4 s TYR 101 N -2.20 3.17 0.27 4.83 2.02 -1.26 0.05 117.35 124.23 2nr4 s TYR 101 Ca 0.17 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.87 2nr4 s TYR 101 Cb -0.05 -2.04 -0.06 0.00 -0.40 0.00 0.00 41.96 39.42 2nr4 s TYR 101 CO 0.07 0.09 -0.03 0.14 -1.57 0.00 0.00 175.55 174.25 2nr4 s VAL 102 N 0.36 1.40 0.05 0.71 -7.23 -0.41 -4.82 120.40 110.46 2nr4 s VAL 102 Ca 0.01 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 2nr4 s VAL 102 Cb -0.13 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2nr4 s VAL 102 CO 0.01 -0.28 1.33 -1.81 -0.31 0.00 0.00 175.10 174.04 2nr4 s ASP 103 N -3.40 6.91 -0.43 4.85 1.01 -1.26 0.22 116.67 124.57 2nr4 s ASP 103 Ca 0.30 2.14 0.02 0.00 0.71 0.00 0.00 52.55 55.71 2nr4 s ASP 103 Cb 0.05 -2.57 0.15 0.00 1.01 0.00 0.00 42.92 41.56 2nr4 s ASP 103 CO 0.11 -0.63 0.28 0.00 0.21 0.00 0.00 175.17 175.14 2nr4 s ALA 104 N 1.66 1.71 0.00 5.23 0.00 0.81 -4.72 121.76 126.44 2nr4 s ALA 104 Ca 0.62 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2nr4 s ALA 104 Cb -0.32 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2nr4 s ALA 104 CO 0.28 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.39 2nr4 n GLY 105 N 3.36 1.85 0.13 0.00 0.00 -1.26 -2.18 105.19 107.10 2nr4 n GLY 105 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2nr4 n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nr4 n GLU 106 N 2.71 0.52 -4.01 1.61 1.02 -1.26 -4.97 120.64 116.26 2nr4 n GLU 106 Ca 0.00 -0.62 -0.21 0.00 -0.02 0.00 0.00 57.16 56.31 2nr4 n GLU 106 Cb 0.00 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 2nr4 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2nr4 s PHE 107 N -0.48 3.32 0.06 -0.32 0.40 -0.93 -5.13 117.98 114.90 2nr4 s PHE 107 Ca 0.04 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 2nr4 s PHE 107 Cb 0.03 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2nr4 s PHE 107 CO 0.06 0.46 0.07 0.15 0.70 0.00 0.00 175.22 176.67 2nr4 s LYS 108 N -3.93 2.90 0.00 0.44 1.02 -1.26 -0.14 119.74 118.77 2nr4 s LYS 108 Ca 0.34 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.70 2nr4 s LYS 108 Cb -0.09 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2nr4 s LYS 108 CO 0.28 0.59 -0.07 0.12 -0.92 0.00 0.00 175.35 175.34 2nr4 s PHE 109 N -1.32 0.61 0.13 3.18 5.36 0.13 -4.85 117.98 121.22 2nr4 s PHE 109 Ca 0.27 -0.15 -0.30 0.00 -0.96 0.00 0.00 56.93 55.79 2nr4 s PHE 109 Cb -0.12 -0.39 -0.07 0.00 -0.34 0.00 0.00 43.02 42.10 2nr4 s PHE 109 CO 0.19 -0.02 1.15 -1.25 -1.46 0.00 0.00 175.22 173.84 2nr4 s PRO 110 N -0.32 4.51 0.27 10.12 0.04 -1.26 -1.29 135.00 147.08 2nr4 s PRO 110 Ca 0.01 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.87 2nr4 s PRO 110 Cb -0.03 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2nr4 s PRO 110 CO -0.00 -0.08 -0.03 0.14 0.04 0.00 0.00 177.00 177.07 2nr4 s VAL 111 N 0.31 1.42 0.10 -0.36 -7.23 0.11 -4.60 120.40 110.15 2nr4 s VAL 111 Ca 0.54 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2nr4 s VAL 111 Cb -0.30 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 2nr4 s VAL 111 CO 0.33 -0.27 1.02 -0.76 -0.31 0.00 0.00 175.10 175.10 2nr4 s LEU 112 N -3.41 4.47 0.40 1.32 1.02 -1.26 -0.35 118.68 120.87 2nr4 s LEU 112 Ca 0.30 1.86 0.09 0.00 0.02 0.00 0.00 54.13 56.40 2nr4 s LEU 112 Cb 0.05 -3.59 0.88 0.00 0.02 0.00 0.00 46.19 43.56 2nr4 s LEU 112 CO 0.11 -0.16 1.99 0.11 0.02 0.00 0.00 176.35 178.42 2nr4 h LYS 113 N 5.77 0.55 -0.22 1.70 1.57 -1.42 -2.02 116.57 122.50 2nr4 h LYS 113 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2nr4 h LYS 113 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2nr4 h LYS 113 CO 0.73 0.37 0.00 0.39 -0.57 0.00 0.00 179.45 180.37 2nr4 n GLU 114 N -4.48 1.71 -1.72 3.15 -0.58 -1.26 -4.93 120.64 112.53 2nr4 n GLU 114 Ca 0.08 -1.08 -0.42 0.00 -0.42 0.00 0.00 57.16 55.32 2nr4 n GLU 114 Cb 0.24 -1.34 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 2nr4 n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nr4 n ALA 115 N 0.33 1.67 0.00 0.62 0.00 -0.76 -4.90 120.51 117.47 2nr4 n ALA 115 Ca 0.14 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 2nr4 n ALA 115 Cb 0.30 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 2nr4 n ALA 115 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2nr4 h ILE 116 N 2.79 1.28 -2.48 0.00 5.03 -1.02 -3.40 117.51 119.71 2nr4 h ILE 116 Ca -0.47 -2.07 -0.09 0.00 -0.12 0.00 0.00 64.86 62.11 2nr4 h ILE 116 Cb 1.27 2.12 -0.21 0.00 -3.03 0.00 0.00 36.82 36.97 2nr4 h ILE 116 CO 0.66 0.65 -0.06 0.00 -0.68 0.00 0.00 178.15 178.73 2nr4 s ALA 117 N -3.60 -1.30 0.07 1.87 0.00 -1.25 -0.38 121.76 117.17 2nr4 s ALA 117 Ca -0.10 1.07 0.03 0.00 0.00 0.00 0.00 51.96 52.96 2nr4 s ALA 117 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2nr4 s ALA 117 CO 0.91 -0.29 -0.09 1.67 0.00 0.00 0.00 175.76 177.96 2nr4 s TRP 118 N -0.71 0.87 -0.05 0.00 1.48 -0.51 -0.84 118.94 119.20 2nr4 s TRP 118 Ca -0.08 -0.63 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 2nr4 s TRP 118 Cb -0.03 -0.50 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 2nr4 s TRP 118 CO 0.05 -0.06 -0.04 0.08 -4.06 0.00 0.00 176.95 172.91 2nr4 s VAL 119 N -2.18 0.54 -0.12 -0.66 1.01 -0.96 -1.28 120.40 116.75 2nr4 s VAL 119 Ca -0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2nr4 s VAL 119 Cb -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2nr4 s VAL 119 CO -0.01 0.23 0.46 -0.69 0.00 0.00 0.00 175.10 175.09 2nr4 s VAL 120 N 0.97 5.20 -0.04 2.92 1.01 0.49 -0.84 120.40 130.11 2nr4 s VAL 120 Ca -0.10 0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.87 2nr4 s VAL 120 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2nr4 s VAL 120 CO -0.00 0.33 -0.25 -0.36 0.00 0.00 0.00 175.10 174.82 2nr4 s PHE 121 N 0.65 2.39 0.07 5.22 0.08 0.32 0.95 117.98 127.66 2nr4 s PHE 121 Ca 0.25 -0.53 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 2nr4 s PHE 121 Cb -0.15 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 2nr4 s PHE 121 CO 0.10 -0.10 0.85 -2.00 -0.10 0.00 0.00 175.22 173.97 2nr4 s GLU 122 N -0.44 4.58 -0.16 0.44 2.12 0.13 -1.47 118.70 123.90 2nr4 s GLU 122 Ca 0.05 1.23 -0.20 0.00 0.36 0.00 0.00 54.97 56.41 2nr4 s GLU 122 Cb -0.11 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 2nr4 s GLU 122 CO 0.01 0.25 0.58 0.00 -0.54 0.00 0.00 175.26 175.56 2nr4 s ILE 124 N 1.39 1.61 -1.36 0.00 -4.36 0.30 -4.82 121.20 113.96 2nr4 s ILE 124 Ca 0.28 -2.13 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 2nr4 s ILE 124 Cb -0.16 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.19 2nr4 s ILE 124 CO 0.11 -0.34 0.90 0.59 0.24 0.00 0.00 174.94 176.44 2nr4 n ASN 125 N -0.54 -3.06 -4.72 4.36 3.02 -1.26 -1.11 115.26 111.94 2nr4 n ASN 125 Ca -0.06 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 2nr4 n ASN 125 Cb 0.63 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 2nr4 n ASN 125 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2nr4 s LEU 126 N -6.89 4.37 -0.16 3.41 1.02 -1.26 -4.51 118.68 114.67 2nr4 s LEU 126 Ca 0.27 2.74 -0.12 0.00 0.02 0.00 0.00 54.13 57.03 2nr4 s LEU 126 Cb -0.13 -3.60 0.05 0.00 0.02 0.00 0.00 46.19 42.53 2nr4 s LEU 126 CO 0.79 -0.89 0.41 0.00 0.02 0.00 0.00 176.35 176.69 2nr4 s ARG 127 N 1.07 0.45 0.01 1.70 1.70 -0.49 -5.00 118.95 118.38 2nr4 s ARG 127 Ca 0.72 0.66 -0.28 0.00 -0.47 0.00 0.00 55.73 56.36 2nr4 s ARG 127 Cb -0.46 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.01 2nr4 s ARG 127 CO 0.32 -0.10 0.88 -0.80 -1.08 0.00 0.00 175.30 174.53 2nr4 s ASN 128 N 0.68 7.28 0.00 -2.89 0.01 -1.26 -0.63 114.94 118.13 2nr4 s ASN 128 Ca -0.04 1.54 0.00 0.00 -0.71 0.00 0.00 52.86 53.65 2nr4 s ASN 128 Cb -0.05 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2nr4 s ASN 128 CO -0.05 -0.15 0.00 0.41 -1.51 0.00 0.00 177.10 175.80 2nr4 n THR 129 N 3.53 0.00 -1.24 1.60 -1.04 -1.26 -4.96 114.28 110.92 2nr4 n THR 129 Ca 0.02 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.17 2nr4 n THR 129 Cb 0.51 -0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 68.87 2nr4 n THR 129 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2nr4 n SER 132 N -0.62 -6.33 -4.31 8.00 7.64 -1.26 -4.95 113.62 111.78 2nr4 n SER 132 Ca 0.00 0.98 -0.33 0.00 1.01 0.00 0.00 58.87 60.52 2nr4 n SER 132 Cb 0.06 -4.10 -0.15 0.00 -1.01 0.00 0.00 64.21 59.01 2nr4 n SER 132 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nr4 s LEU 133 N -6.52 2.61 -0.11 -3.43 2.96 0.71 -4.89 118.68 110.03 2nr4 s LEU 133 Ca 0.00 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2nr4 s LEU 133 Cb 0.00 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2nr4 s LEU 133 CO 0.00 0.10 0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2nr4 s VAL 134 N 0.74 4.72 -0.08 1.68 1.01 0.20 -0.51 120.40 128.16 2nr4 s VAL 134 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2nr4 s VAL 134 Cb -0.15 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2nr4 s VAL 134 CO 0.01 0.60 0.19 0.00 0.00 0.00 0.00 175.10 175.90 2nr4 s ALA 135 N -0.80 -0.45 0.64 5.51 0.00 -0.85 -1.40 121.76 124.42 2nr4 s ALA 135 Ca 0.13 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2nr4 s ALA 135 Cb -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2nr4 s ALA 135 CO 0.03 -0.12 1.04 -0.51 0.00 0.00 0.00 175.76 176.19 2nr4 s ASP 136 N 0.55 5.82 -0.10 0.00 1.01 -0.26 -0.72 116.67 122.97 2nr4 s ASP 136 Ca -0.04 1.57 0.03 0.00 0.71 0.00 0.00 52.55 54.82 2nr4 s ASP 136 Cb -0.05 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.39 2nr4 s ASP 136 CO -0.03 -1.15 -0.20 -0.76 0.21 0.00 0.00 175.17 173.25 2nr4 s LEU 137 N -5.19 1.95 -0.25 1.23 1.43 0.31 -0.54 118.68 117.63 2nr4 s LEU 137 Ca 0.58 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2nr4 s LEU 137 Cb -0.13 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.87 2nr4 s LEU 137 CO 0.51 0.10 -0.04 -0.69 0.23 0.00 0.00 176.35 176.46 2nr4 s VAL 138 N 0.56 3.03 0.20 -1.59 1.01 -0.34 -4.25 120.40 119.01 2nr4 s VAL 138 Ca -0.15 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 2nr4 s VAL 138 Cb -0.17 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2nr4 s VAL 138 CO 0.05 0.19 1.44 -2.16 0.00 0.00 0.00 175.10 174.62 2nr4 s PRO 139 N 1.35 4.29 -0.16 2.72 0.04 -1.26 -0.69 135.00 141.28 2nr4 s PRO 139 Ca 0.01 2.23 0.11 0.00 0.04 0.00 0.00 61.00 63.38 2nr4 s PRO 139 Cb -0.17 -3.16 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 2nr4 s PRO 139 CO -0.04 -0.44 -0.01 1.28 0.04 0.00 0.00 177.00 177.84 2nr4 n LEU 140 N 3.05 0.77 -3.58 -3.56 4.77 0.27 -4.90 117.00 113.81 2nr4 n LEU 140 Ca 0.09 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 2nr4 n LEU 140 Cb 0.41 0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2nr4 n LEU 140 CO 0.60 0.50 0.91 0.21 -1.33 0.00 0.00 177.39 178.27 2nr4 s ASN 141 N -5.17 -0.24 -0.04 -1.43 2.47 -1.19 -4.85 114.94 104.50 2nr4 s ASN 141 Ca -0.13 0.16 -0.22 0.00 0.42 0.00 0.00 52.86 53.09 2nr4 s ASN 141 Cb 0.05 0.21 0.04 0.00 -1.45 0.00 0.00 41.25 40.11 2nr4 s ASN 141 CO 0.59 -0.29 0.48 0.00 -3.72 0.00 0.00 177.10 174.16 2nr4 s ALA 142 N -1.74 -1.23 0.13 1.71 0.00 -1.26 -0.38 121.76 118.99 2nr4 s ALA 142 Ca 0.04 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 2nr4 s ALA 142 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2nr4 s ALA 142 CO -0.04 -0.31 0.23 0.20 0.00 0.00 0.00 175.76 175.85 2nr4 s GLY 143 N -1.19 0.34 -0.03 0.00 0.00 -0.40 -5.00 107.32 101.03 2nr4 s GLY 143 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2nr4 s GLY 143 CO 0.07 -0.86 -0.13 -0.12 0.00 0.00 0.00 173.10 172.06 2nr4 s PHE 144 N -3.93 1.35 -0.86 1.90 5.36 -1.26 -1.42 117.98 119.12 2nr4 s PHE 144 Ca 0.12 -0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2nr4 s PHE 144 Cb 0.04 -0.93 0.22 0.00 -0.34 0.00 0.00 43.02 42.01 2nr4 s PHE 144 CO -0.05 -0.13 0.77 0.09 -1.46 0.00 0.00 175.22 174.45 2nr4 n ASN 145 N 3.19 4.09 -0.25 6.13 3.02 0.49 -4.92 115.26 127.00 2nr4 n ASN 145 Ca -0.18 -3.19 0.07 0.00 -0.03 0.00 0.00 54.58 51.25 2nr4 n ASN 145 Cb 0.54 -0.98 0.14 0.00 -0.61 0.00 0.00 39.78 38.86 2nr4 n ASN 145 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nr4 n GLU 146 N 2.07 -0.06 -0.01 3.52 4.71 -1.26 0.46 120.64 130.07 2nr4 n GLU 146 Ca 0.22 1.09 0.23 0.00 -0.01 0.00 0.00 57.16 58.70 2nr4 n GLU 146 Cb 0.37 -1.67 0.61 0.00 -1.01 0.00 0.00 31.44 29.73 2nr4 n GLU 146 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 2nr4 h ARG 147 N 0.00 0.00 -0.01 3.49 0.11 -1.96 -2.87 114.38 113.14 2nr4 h ARG 147 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 2nr4 h ARG 147 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2nr4 h ARG 147 CO -0.71 0.00 -0.73 0.09 0.10 0.00 0.00 179.97 178.72 2nr4 n ASN 148 N -3.43 1.44 -4.40 0.08 3.02 0.17 -4.75 115.26 107.40 2nr4 n ASN 148 Ca 0.13 -1.20 -0.43 0.00 -0.03 0.00 0.00 54.58 53.05 2nr4 n ASN 148 Cb 0.99 0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 40.78 2nr4 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nr4 s ILE 149 N -2.75 4.98 -0.13 2.41 1.01 -1.09 -4.88 121.20 120.75 2nr4 s ILE 149 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2nr4 s ILE 149 Cb 0.17 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.63 2nr4 s ILE 149 CO 0.72 -0.40 -0.01 0.29 0.00 0.00 0.00 174.94 175.54 2nr4 n LYS 150 N 5.11 1.51 -4.36 2.79 5.02 -1.26 -5.03 118.16 121.93 2nr4 n LYS 150 Ca -0.12 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 2nr4 n LYS 150 Cb 0.45 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 2nr4 n LYS 150 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nr4 s GLU 151 N -2.30 1.37 -0.05 1.97 2.02 -1.26 -5.12 118.70 115.33 2nr4 s GLU 151 Ca -0.11 -1.53 -0.28 0.00 0.02 0.00 0.00 54.97 53.08 2nr4 s GLU 151 Cb 0.04 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 2nr4 s GLU 151 CO 0.46 0.26 0.92 -1.17 0.02 0.00 0.00 175.26 175.75 2nr4 s LEU 152 N -2.99 4.32 0.46 1.80 2.96 -1.26 -5.01 118.68 118.95 2nr4 s LEU 152 Ca 0.20 1.50 -0.25 0.00 -0.22 0.00 0.00 54.13 55.37 2nr4 s LEU 152 Cb -0.04 -3.44 -0.08 0.00 0.50 0.00 0.00 46.19 43.12 2nr4 s LEU 152 CO 0.08 -0.28 1.42 -2.84 -1.32 0.00 0.00 176.35 173.41 2nr4 s PRO 153 N 1.26 3.65 -0.04 0.98 0.02 -1.26 -5.02 135.00 134.59 2nr4 s PRO 153 Ca 0.47 2.40 -0.08 0.00 0.02 0.00 0.00 61.00 63.80 2nr4 s PRO 153 Cb -0.19 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.71 2nr4 s PRO 153 CO 0.23 -0.84 0.20 0.54 -0.33 0.00 0.00 177.00 176.80 2nr4 s VAL 154 N -1.21 0.04 0.26 3.83 0.11 -1.26 -5.12 120.40 117.05 2nr4 s VAL 154 Ca 0.62 -0.34 -0.31 0.00 -2.93 0.00 0.00 61.98 59.01 2nr4 s VAL 154 Cb -0.43 -0.40 -0.13 0.00 -1.53 0.00 0.00 36.38 33.89 2nr4 s VAL 154 CO 0.55 -0.19 1.51 -2.65 -3.33 0.00 0.00 175.10 170.99 2nr4 n PRO 155 N 2.12 2.35 -3.65 1.54 -0.02 -1.26 -4.98 135.00 131.09 2nr4 n PRO 155 Ca -0.18 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 61.96 2nr4 n PRO 155 Cb 0.57 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 2nr4 n PRO 155 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nr4 s ASN 156 N 0.44 0.92 0.40 2.55 3.84 -1.26 -5.04 114.94 116.80 2nr4 s ASN 156 Ca 0.67 0.22 0.20 0.00 0.21 0.00 0.00 52.86 54.15 2nr4 s ASN 156 Cb -0.58 0.21 0.81 0.00 -0.55 0.00 0.00 41.25 41.14 2nr4 s ASN 156 CO 0.48 -0.26 1.80 0.03 -2.79 0.00 0.00 177.10 176.36 2nr4 h ARG 157 N 8.37 0.00 -0.23 0.43 3.08 -1.94 -1.39 114.38 122.70 2nr4 h ARG 157 Ca -0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2nr4 h ARG 157 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2nr4 h ARG 157 CO 0.16 0.33 -0.01 0.78 -1.07 0.00 0.00 179.97 180.15 2nr4 h GLY 158 N 1.80 0.45 1.00 0.04 0.00 -1.78 0.43 103.07 105.01 2nr4 h GLY 158 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2nr4 h GLY 158 CO 0.04 0.32 0.37 -2.75 0.00 0.00 0.00 176.54 174.51 2nr4 h PHE 159 N 0.18 0.80 -0.76 5.60 3.57 -1.83 -1.74 116.94 122.75 2nr4 h PHE 159 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2nr4 h PHE 159 Cb 0.43 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2nr4 h PHE 159 CO 0.04 0.55 0.50 -0.91 -2.23 0.00 0.00 178.31 176.26 2nr4 h ASN 160 N 0.82 0.82 -0.53 0.41 2.35 -1.13 -0.72 115.58 117.61 2nr4 h ASN 160 Ca 0.22 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 2nr4 h ASN 160 Cb -0.02 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2nr4 h ASN 160 CO -0.04 0.57 0.07 0.00 -1.65 0.00 0.00 177.43 176.38 2nr4 h ALA 161 N 1.55 0.70 -0.65 -0.83 0.00 -0.54 -1.07 119.26 118.41 2nr4 h ALA 161 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2nr4 h ALA 161 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2nr4 h ALA 161 CO -0.08 0.45 0.40 0.28 0.00 0.00 0.00 179.25 180.30 2nr4 h VAL 162 N 0.76 1.08 -0.28 0.00 2.07 -0.79 -0.23 116.25 118.86 2nr4 h VAL 162 Ca 0.16 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2nr4 h VAL 162 Cb 0.42 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2nr4 h VAL 162 CO 0.01 0.14 0.18 0.25 0.02 0.00 0.00 177.57 178.18 2nr4 h LEU 163 N 0.79 0.33 -0.59 2.57 5.85 -0.86 -0.54 115.31 122.86 2nr4 h LEU 163 Ca 0.26 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2nr4 h LEU 163 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2nr4 h LEU 163 CO -0.11 0.26 0.30 -0.33 -0.34 0.00 0.00 178.44 178.22 2nr4 h GLU 164 N 0.37 0.84 -0.79 1.25 4.39 -0.94 -2.42 114.58 117.28 2nr4 h GLU 164 Ca 0.10 -0.12 0.14 0.00 0.34 0.00 0.00 59.36 59.82 2nr4 h GLU 164 Cb -0.02 -0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 28.38 2nr4 h GLU 164 CO -0.02 0.67 0.38 0.00 -1.16 0.00 0.00 179.01 178.88 2nr4 h ALA 165 N 1.13 1.16 -0.19 3.43 0.00 -0.72 -1.92 119.26 122.15 2nr4 h ALA 165 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2nr4 h ALA 165 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2nr4 h ALA 165 CO -0.03 -0.12 -0.11 1.79 0.00 0.00 0.00 179.25 180.79 2nr4 h THR 166 N 0.56 1.18 0.19 0.00 1.35 -0.72 0.27 112.91 115.74 2nr4 h THR 166 Ca 0.43 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2nr4 h THR 166 Cb 0.59 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2nr4 h THR 166 CO -0.36 0.25 -0.09 0.58 -0.25 0.00 0.00 175.52 175.65 2nr4 h VAL 167 N 0.28 0.91 -0.70 6.82 2.07 -0.96 -0.79 116.25 123.88 2nr4 h VAL 167 Ca 0.06 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.92 2nr4 h VAL 167 Cb 0.37 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2nr4 h VAL 167 CO 0.02 0.15 0.46 0.45 0.02 0.00 0.00 177.57 178.67 2nr4 h HIS 168 N -0.59 0.88 -0.46 1.57 3.86 -1.28 -1.43 115.15 117.70 2nr4 h HIS 168 Ca -0.03 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2nr4 h HIS 168 Cb 0.44 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 2nr4 h HIS 168 CO 0.03 0.56 0.23 0.00 0.86 0.00 0.00 177.93 179.61 2nr4 h ALA 169 N 1.56 0.58 -0.23 2.45 0.00 -0.67 0.47 119.26 123.42 2nr4 h ALA 169 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2nr4 h ALA 169 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2nr4 h ALA 169 CO -0.06 -0.12 0.14 1.15 0.00 0.00 0.00 179.25 180.36 2nr4 h THR 170 N 0.46 1.09 -0.77 0.00 2.02 -0.73 -0.59 112.91 114.40 2nr4 h THR 170 Ca 0.20 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.23 2nr4 h THR 170 Cb 0.10 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2nr4 h THR 170 CO -0.14 0.09 0.45 0.03 0.37 0.00 0.00 175.52 176.32 2nr4 h ARG 171 N 0.28 0.78 -0.81 6.66 2.47 -0.71 -2.56 114.38 120.49 2nr4 h ARG 171 Ca 0.08 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2nr4 h ARG 171 Cb 0.02 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 2nr4 h ARG 171 CO -0.02 0.51 0.35 -0.92 0.56 0.00 0.00 179.97 180.46 2nr4 h TYR 172 N 0.80 1.20 0.00 3.04 3.20 0.42 -3.51 116.97 122.12 2nr4 h TYR 172 Ca 0.35 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2nr4 h TYR 172 Cb 0.23 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2nr4 h TYR 172 CO -0.06 0.89 0.00 1.04 -1.64 0.00 0.00 178.16 178.39 2nr4 n GLN 173 N -4.30 0.00 0.00 1.82 6.02 -0.27 -5.09 117.38 115.55 2nr4 n GLN 173 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2nr4 n GLN 173 Cb 0.17 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2nr4 n GLN 173 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2nr4 n TYR 180 N 0.42 0.00 -0.15 1.08 4.01 -1.26 -5.12 117.16 116.13 2nr4 n TYR 180 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2nr4 n TYR 180 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2nr4 n TYR 180 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2nr4 h LEU 181 N 0.00 0.54 -0.88 7.72 4.07 -2.00 -1.45 115.31 123.31 2nr4 h LEU 181 Ca 0.00 -0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.05 2nr4 h LEU 181 Cb 0.00 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 41.52 2nr4 h LEU 181 CO 0.00 0.41 0.51 -0.33 -1.08 0.00 0.00 178.44 177.95 2nr4 h GLU 182 N 0.63 0.76 -0.50 1.13 5.08 -2.03 -1.93 114.58 117.72 2nr4 h GLU 182 Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2nr4 h GLU 182 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2nr4 h GLU 182 CO -0.03 0.50 -0.02 1.25 -1.00 0.00 0.00 179.01 179.71 2nr4 h LEU 183 N 0.78 0.87 -0.82 1.33 5.85 -1.81 -3.00 115.31 118.51 2nr4 h LEU 183 Ca 0.45 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2nr4 h LEU 183 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2nr4 h LEU 183 CO -0.30 0.98 0.46 0.40 -0.34 0.00 0.00 178.44 179.64 2nr4 h ILE 184 N 0.75 1.24 -0.96 4.05 2.04 -0.90 -1.38 117.51 122.35 2nr4 h ILE 184 Ca 0.14 -0.58 0.18 0.00 1.00 0.00 0.00 64.86 65.59 2nr4 h ILE 184 Cb 0.54 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 2nr4 h ILE 184 CO 0.03 0.26 0.55 0.03 0.00 0.00 0.00 178.15 179.03 2nr4 h ARG 185 N 1.14 0.70 -0.45 2.37 3.08 -1.23 -2.49 114.38 117.49 2nr4 h ARG 185 Ca 0.29 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 2nr4 h ARG 185 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2nr4 h ARG 185 CO -0.05 0.46 -0.06 1.25 -1.07 0.00 0.00 179.97 180.50 2nr4 h HIS 186 N 0.72 0.93 0.00 3.04 2.76 -1.13 -3.08 115.15 118.39 2nr4 h HIS 186 Ca 0.54 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 2nr4 h HIS 186 Cb 0.82 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 2nr4 h HIS 186 CO -0.04 0.92 -0.08 1.88 -1.30 0.00 0.00 177.93 179.31 2nr4 h TYR 187 N 0.68 0.00 -0.92 5.26 0.05 -1.27 -2.42 116.97 118.35 2nr4 h TYR 187 Ca 0.12 0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.00 2nr4 h TYR 187 Cb 0.58 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.25 2nr4 h TYR 187 CO 0.04 0.08 0.56 1.49 -1.05 0.00 0.00 178.16 179.28 2nr4 h GLU 188 N 0.00 0.89 -0.04 4.88 4.22 -1.37 -1.14 114.58 122.03 2nr4 h GLU 188 Ca -0.00 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.25 2nr4 h GLU 188 Cb 0.36 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2nr4 h GLU 188 CO 0.01 0.59 -0.59 0.66 -2.18 0.00 0.00 179.01 177.50 2nr4 h SER 189 N 0.92 0.15 -0.21 1.04 4.64 -1.57 -0.35 113.55 118.17 2nr4 h SER 189 Ca 0.44 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2nr4 h SER 189 Cb 0.39 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2nr4 h SER 189 CO -0.25 0.71 -0.42 0.25 -0.87 0.00 0.00 176.83 176.25 2nr4 h LEU 190 N 0.10 0.73 -1.17 5.97 5.85 -1.58 -1.36 115.31 123.85 2nr4 h LEU 190 Ca -0.01 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 2nr4 h LEU 190 Cb 1.07 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2nr4 h LEU 190 CO 0.09 1.15 0.45 0.00 -0.34 0.00 0.00 178.44 179.78 2nr4 h ALA 191 N 0.61 1.38 -0.13 1.25 0.00 -0.98 0.23 119.26 121.62 2nr4 h ALA 191 Ca 0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2nr4 h ALA 191 Cb 1.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2nr4 h ALA 191 CO 0.09 0.53 -0.70 0.77 0.00 0.00 0.00 179.25 179.95 2nr4 h SER 192 N 1.03 0.65 -0.04 0.00 0.02 -0.97 0.18 113.55 114.42 2nr4 h SER 192 Ca 0.27 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2nr4 h SER 192 Cb -0.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2nr4 h SER 192 CO -0.05 1.15 -0.15 0.11 -1.14 0.00 0.00 176.83 176.75 2nr4 h LYS 193 N 0.39 0.17 0.00 3.45 1.57 -0.99 -3.39 116.57 117.77 2nr4 h LYS 193 Ca -0.03 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2nr4 h LYS 193 Cb 1.28 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2nr4 h LYS 193 CO 0.13 0.77 -1.87 0.00 -0.57 0.00 0.00 179.45 177.91 2nr4 s GLY 195 N -4.20 1.81 0.54 0.00 0.00 0.05 -4.46 107.32 101.07 2nr4 s GLY 195 Ca -0.07 0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.71 2nr4 s GLY 195 CO 0.80 0.42 0.74 0.61 0.00 0.00 0.00 173.10 175.67 2nr4 n GLY 196 N -1.88 -0.69 0.36 0.20 0.00 -1.26 -4.86 105.19 97.06 2nr4 n GLY 196 Ca 0.07 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.37 2nr4 n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nr4 h ASP 197 N -0.83 0.90 -0.72 1.61 5.19 -1.98 -1.44 116.42 119.16 2nr4 h ASP 197 Ca -0.24 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.15 2nr4 h ASP 197 Cb 0.72 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2nr4 h ASP 197 CO 0.19 0.48 0.19 0.00 -3.12 0.00 0.00 179.24 176.98 2nr4 h ALA 198 N 1.54 0.95 -0.42 3.45 0.00 -1.99 0.64 119.26 123.42 2nr4 h ALA 198 Ca 0.49 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2nr4 h ALA 198 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nr4 h ALA 198 CO -0.27 0.66 -0.07 0.93 0.00 0.00 0.00 179.25 180.50 2nr4 h GLU 199 N 1.08 0.79 -0.74 0.00 3.07 -1.81 -0.40 114.58 116.57 2nr4 h GLU 199 Ca 0.23 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 2nr4 h GLU 199 Cb 0.36 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 2nr4 h GLU 199 CO 0.00 0.90 0.42 0.87 -1.40 0.00 0.00 179.01 179.80 2nr4 h LYS 200 N 0.61 1.03 -0.64 2.33 1.57 -1.01 -1.52 116.57 118.94 2nr4 h LYS 200 Ca 0.11 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2nr4 h LYS 200 Cb 0.59 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2nr4 h LYS 200 CO 0.03 0.75 0.11 -0.22 -0.57 0.00 0.00 179.45 179.56 2nr4 h LYS 201 N 1.02 1.04 -0.71 3.15 1.63 -0.72 -2.19 116.57 119.79 2nr4 h LYS 201 Ca 0.26 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2nr4 h LYS 201 Cb 0.01 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 2nr4 h LYS 201 CO -0.05 0.95 0.40 0.00 -3.45 0.00 0.00 179.45 177.31 2nr4 h ALA 202 N 1.13 0.91 -0.47 5.00 0.00 -0.70 -0.62 119.26 124.52 2nr4 h ALA 202 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2nr4 h ALA 202 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2nr4 h ALA 202 CO 0.01 0.42 -0.07 1.98 0.00 0.00 0.00 179.25 181.58 2nr4 h MET 203 N 0.98 0.82 -0.10 0.00 1.85 -1.18 -1.61 114.93 115.69 2nr4 h MET 203 Ca 0.25 -0.26 0.01 0.00 -0.61 0.00 0.00 59.70 59.09 2nr4 h MET 203 Cb 0.02 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.97 2nr4 h MET 203 CO -0.04 0.87 0.04 -0.22 -0.40 0.00 0.00 176.91 177.16 2nr4 h LYS 204 N 0.75 0.08 -0.95 0.39 3.64 -1.01 -2.19 116.57 117.28 2nr4 h LYS 204 Ca 0.13 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 2nr4 h LYS 204 Cb 0.56 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 2nr4 h LYS 204 CO 0.03 0.06 0.60 -0.07 -2.27 0.00 0.00 179.45 177.80 2nr4 h LEU 205 N 0.09 0.80 0.06 5.20 4.07 -0.64 -0.12 115.31 124.76 2nr4 h LEU 205 Ca 0.04 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2nr4 h LEU 205 Cb 0.02 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2nr4 h LEU 205 CO -0.04 0.41 -0.03 0.40 -1.08 0.00 0.00 178.44 178.10 2nr4 h ILE 206 N 0.85 1.11 -0.73 1.22 2.04 -1.03 -0.09 117.51 120.89 2nr4 h ILE 206 Ca 0.48 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.92 2nr4 h ILE 206 Cb 0.60 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 2nr4 h ILE 206 CO -0.24 0.14 0.20 1.88 0.00 0.00 0.00 178.15 180.13 2nr4 h TYR 207 N -0.33 0.32 -0.21 1.37 -1.99 -0.90 -1.68 116.97 113.55 2nr4 h TYR 207 Ca -0.01 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2nr4 h TYR 207 Cb 0.29 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2nr4 h TYR 207 CO 0.01 -0.05 -0.05 0.93 -0.00 0.00 0.00 178.16 179.00 2nr4 h GLU 208 N 0.30 0.41 -0.00 4.88 5.08 -0.90 -3.05 114.58 121.30 2nr4 h GLU 208 Ca 0.41 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2nr4 h GLU 208 Cb 0.67 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2nr4 h GLU 208 CO -0.48 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 2nr4 h ALA 209 N 0.74 1.86 0.00 3.43 0.00 -0.72 -3.51 119.26 121.06 2nr4 h ALA 209 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nr4 h ALA 209 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2nr4 h ALA 209 CO 0.02 -0.00 0.00 1.47 0.00 0.00 0.00 179.25 180.74